Effect of Cu/Au for propylene epoxidation over the Ag

• Tác giả: Yangyang Song, Guichang Wang, Xin Wang, Zean Xie, Ke Zhang, Simeng Zhao, Zhen Zhao
• Ngôn ngữ: eng
• Ký hiệu phân loại: 384.55455 Wireless communication
• Thông tin xuất bản: England : Physical chemistry chemical physics : PCCP , 2025
• Bộ sưu tập: NCBI
• ID: 191601

Tóm tắt

Catalysts belonging to the IB group for propylene epoxidation have garnered significant attention and have been extensively developed in the chemical industry. In this study, spin-polarized density functional theory (DFT) calculations combined with a U correction were performed to study propylene epoxidation on the Ag